Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.31 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.30 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.30 |
| ▸ | USP5 | P45974 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11036595 | 0.99 | USP5 (0.34) | USP5TSHRPSMB5TLR7PDE4A | |
| Hydrochloric Acid SCHEMBL11037314 | 0.89 | USP5 (0.34) | USP5TSHRPDE4APDE4BPDE4C | |
| SCHEMBL11038147 | 0.88 | USP5 (0.35) | USP5TSHRPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL11389008 | 0.86 | BCHE (0.38) | BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL11036638 | 0.86 | PDE4A (0.40) | TLR7PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL11036610 | 0.85 | TLR7 (0.41) | TSHRTLR7PDE4APDE4BPDE4C | |
| SCHEMBL11038211 | 0.85 | PDE4A (0.41) | TLR7PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11251660 | 0.85 | BCHE (0.38) | BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL11037809 | 0.84 | TLR7 (0.43) | TSHRTLR7PDE4APDE4BPDE4C | |
| SCHEMBL11038010 | 0.84 | TLR7 (0.42) | TSHRTLR7PDE4APDE4BPDE4C |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0038528-B1 | DIHYDRO-AS-TRIAZINO(5,6-C)QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1984-08-08 | — | — | EP | disclosed |
| US-4393212-A | ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1983-07-12 | — | — | US | disclosed |
| US-4393212-A | ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1983-07-12 | — | — | US | disclosed |
| US-4294969-A | COUPLING N-BROMOSUCCINIMIDE AND A 2-BROMOPYRIDINE | MERCK & CO., INC. (US) | 1981-10-13 | — | — | US | disclosed |
| US-4294969-A | COUPLING N-BROMOSUCCINIMIDE AND A 2-BROMOPYRIDINE | MERCK & CO., INC. (US) | 1981-10-13 | — | — | US | disclosed |
| US-4279913-A | ANTIARRYTHMIA, HYPOTENSIVE | MERCK & CO., INC. (US) | 1981-07-21 | — | — | US | disclosed |
| US-4279913-A | ANTIARRYTHMIA, HYPOTENSIVE | MERCK & CO., INC. (US) | 1981-07-21 | — | — | US | disclosed |
| US-4156004-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, and use | MERCK & CO., INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4156004-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, and use | MERCK & CO., INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4156004-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, and use | MERCK & CO., INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4144343-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4125618-A | Novel substituted pyridines, their preparation and pharmaceutical use | MERCK & CO., INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4092419-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-30 | — | — | US | disclosed |
| US-4092419-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-30 | — | — | US | disclosed |
| US-4092419-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-30 | — | — | US | disclosed |
| US-4091104-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4091104-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4091104-A | Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4060601-A | Certain lower-alkyl amino-2'-hydroxy-propoxy pyridines | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4060601-A | Certain lower-alkyl amino-2'-hydroxy-propoxy pyridines | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |